CID 53421640

745070-61-5

Structural Information

Molecular Formula
C21H33N3O3
SMILES
CC(C)(C)C(=O)NC1=CC(=CC(=C1)NC(=O)C(C)(C)C)NC(=O)C(C)(C)C
InChI
InChI=1S/C21H33N3O3/c1-19(2,3)16(25)22-13-10-14(23-17(26)20(4,5)6)12-15(11-13)24-18(27)21(7,8)9/h10-12H,1-9H3,(H,22,25)(H,23,26)(H,24,27)
InChIKey
CPEULHAPWXMDDV-UHFFFAOYSA-N
Compound name
N-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1317
Patents

375.2522 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.25948 191.7
[M+Na]+ 398.24142 194.7
[M-H]- 374.24492 195.0
[M+NH4]+ 393.28602 203.5
[M+K]+ 414.21536 193.8
[M+H-H2O]+ 358.24946 185.5
[M+HCOO]- 420.25040 208.9
[M+CH3COO]- 434.26605 228.4
[M+Na-2H]- 396.22687 193.4
[M]+ 375.25165 192.8
[M]- 375.25275 192.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe